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methyl 2-cyano-2-[3-[methyl-[(3-nitrophenyl)methyl]amino]quinoxalin-2-yl]ethanoate
methyl 2-cyano-2-[3-[methyl-[(3-nitrophenyl)methyl]amino]quinoxalin-2-yl]ethanoate
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Descriptors Computed from Structure
Canonical SMILES:
CN(CC1=CC(=CC=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC
Isomeric SMILES
CN(CC1=CC(=CC=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC
InChI
InChI=1S/C20H17N5O4/c1-24(12-13-6-5-7-14(10-13)25(27)28)19-18(15(11-21)20(26)29-2)22-16-8-3-4-9-17(16)23-19/h3-10,15H,12H2,1-2H3
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